1-adamantyl-(2-methylpiperidin-1-yl)methanone

C17H27NO — CID 2896597

IUPAC1-adamantyl-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO/c1-12-4-2-3-5-18(12)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15H,2-11H2,1H3
InChIKeyBHAMTYPRJYBKRD-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.60
Rot. Bonds1

About 1-adamantyl-(2-methylpiperidin-1-yl)methanone

1-adamantyl-(2-methylpiperidin-1-yl)methanone (PubChem CID 2896597) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-adamantyl-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-adamantyl-(2-methylpiperidin-1-yl)methanone
PubChem CID2896597
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-adamantyl-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H27NO/c1-12-4-2-3-5-18(12)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15H,2-11H2,1H3
InChIKeyBHAMTYPRJYBKRD-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-adamantyl-(2-methylpyrrolidin-1-yl)methanone
CID 110728183
(3,5-dimethyl-1-adamantyl)-(2-methylpiperidin-1-yl)methanone
CID 112793031
(4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone
CID 178203118
N-(1-adamantyl)-2-methylpiperidine-1-carboxamide
CID 2981068
1-adamantyl-[2-(2-chloroethyl)piperidin-1-yl]methanone
CID 63393538
N-(1-adamantylmethyl)-2-methylpiperidine-1-carboxamide
CID 108870375
(2S)-2-methylpiperidine-1-carbonyl chloride
CID 45081356
[(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 124628785
[(2S)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 36713542
methyl (2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate
CID 7439326
1-adamantyl(azepan-1-yl)methanone
CID 2838808
1-(adamantane-1-carbonyl)-N-cycloheptyl-N-methylpyrrolidine-2-carboxamide
CID 55469391

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of 1-adamantyl-(2-methylpiperidin-1-yl)methanone (CID 2896597) is 1-adamantyl-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 1-adamantyl-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for 1-adamantyl-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(2-methylpiperidin-1-yl)methanone?
The InChIKey is BHAMTYPRJYBKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-12-4-2-3-5-18(12)16(19)17-9-13-6-14(10-17)8-15(7-13)11-17/h12-15H,2-11H2,1H3.
What are the key properties of 1-adamantyl-(2-methylpiperidin-1-yl)methanone?
1-adamantyl-(2-methylpiperidin-1-yl)methanone has a molecular weight of 261.41 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 2896597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).